6-Acetyl-2,2-diMethylchroMan-4-one

Base Information

• Chemical Name: 6-Acetyl-2,2-diMethylchroMan-4-one
• CAS No.: 68799-41-7
• Molecular Formula: C₁₃H₁₄O₃
• Molecular Weight: 218.252
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID30439263
• Nikkaji Number: J492.379K
• Wikidata: Q72468760
• Metabolomics Workbench ID: 136722
• ChEMBL ID: CHEMBL465000
• Mol file: 68799-41-7.mol

Synonyms:4H-1-Benzopyran-4-one,6-acetyl-2,3-dihydro-2,2-dimethyl;6-acetyl-2,2-dimethylchroman-4-one;2,2-dimethyl-6-acetylchroman-4-one;6-Acetyl-2.2-dimethylchroman-4-on;6-Acetyl-2,3-dihydro-2,2-dimethyl-4H-1-benzopyran-4-on;W2028;6-acetyl-2,2-dimethyl-2.3-dihydro-4H-chromen-4-one;6-acetoxy-2,2-dimethylchroman-4-one;

Chemical Property of 6-Acetyl-2,2-diMethylchroMan-4-one

Chemical Property:

• Boiling Point: 361.3±42.0 °C(Predicted)
• PSA: 43.37000
• Density: 1.126±0.06 g/cm3(Predicted)
• LogP: 2.63300
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.094294304
• Heavy Atom Count: 16
• Complexity: 319

Purity/Quality:

98%Min ^*data from raw suppliers

6-Acetyl-2,2-dimethylchroman-4-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC2=C(C=C1)OC(CC2=O)(C)C